methyl 2-[[4-carbamothioyl-3-(trifluoromethyl)phenyl]-methyl-amino]ethanoate

Systemtic Name: methyl 2-[[4-carbamothioyl-3-(trifluoromethyl)phenyl]-methyl-amino]ethanoate Openeye Name: methyl 2-[4-carbamothioyl-N-methyl-3-(trifluoromethyl)anilino]acetate CAS Name: 2-[4-carbamothioyl-N-methyl-3-(trifluoromethyl)anilino]acetic acid methyl ester IUPAC Name: methyl 2-[4-carbamothioyl-N-methyl-3-(trifluoromethyl)anilino]acetate Traditional Name: 2-[N-methyl-4-thiocarbamoyl-3-(trifluoromethyl)anilino]acetic acid methyl ester Formula: C12H13F3N2O2S MolecularWeight: 306.30403

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)C1=CC(=C(C=C1)C(=S)N)C(F)(F)F

Isomeric SMILES

CN(CC(=O)OC)C1=CC(=C(C=C1)C(=S)N)C(F)(F)F

InChI

InChI=1S/C12H13F3N2O2S/c1-17(6-10(18)19-2)7-3-4-8(11(16)20)9(5-7)12(13,14)15/h3-5H,6H2,1-2H3,(H2,16,20)